Vitas-M small molecule compound
5-(4-hydroxybut-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553035
SMILES OCCC#CC1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H20NO4 MW 290.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO4/c1-17-7-6-11-9-13-15(21-10-20-13)16(19-2)14(11)12(17)5-3-4-8-18/h9,12,18H,4,6-8,10H2,1-2H3/p+1InChIKey
NTJMFQCLOOGHPJ-UHFFFAOYSA-OSynonyms
4(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)but3yn1ol
4271709
5(4hydroxybut1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(4hydroxybut1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumchloride
InChI=1SC16H19NO4c117761191315(21102013)16(192)14(11)12(17)534818h91218H46810H212H3p+1
OCCC#CC1(NH+)(C)CCc2c1c(OC)c1c(c2)OCO1(Cl)
ZINC000020113309
ZINC000020113312
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